5-(5-nitro-2-pyridinyl)furan-2-carbaldehyde

C10H6N2O4 — CID 15531640

IUPAC5-(5-nitro-2-pyridinyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc([N+](=O)[O-])cn2)o1
InChIInChI=1S/C10H6N2O4/c13-6-8-2-4-10(16-8)9-3-1-7(5-11-9)12(14)15/h1-6H
InChIKeyQXNFLZLAZSQARS-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.06
Rot. Bonds3

About 5-(5-nitro-2-pyridinyl)furan-2-carbaldehyde

5-(5-nitro-2-pyridinyl)furan-2-carbaldehyde (PubChem CID 15531640) has the molecular formula C10H6N2O4 and a molecular weight of 218.17 g/mol. Its IUPAC name is 5-(5-nitro-2-pyridinyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(5-nitro-2-pyridinyl)furan-2-carbaldehyde
PubChem CID15531640
Molecular FormulaC10H6N2O4
Molecular Weight218.17 g/mol
Exact Mass218.03
IUPAC Name5-(5-nitro-2-pyridinyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc([N+](=O)[O-])cn2)o1
InChIInChI=1S/C10H6N2O4/c13-6-8-2-4-10(16-8)9-3-1-7(5-11-9)12(14)15/h1-6H
InChIKeyQXNFLZLAZSQARS-UHFFFAOYSA-N
XLogP2.06
TPSA86.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2,6-dimethyl-4-nitrophenyl)furan-2-carbaldehyde
CID 169332404
2-(5-formylfuran-2-yl)-5-nitrobenzonitrile
CID 169331692
3-(5-formylfuran-2-yl)-5-nitrobenzoic acid
CID 169332078
5-(2,4-dimethyl-5-nitrophenyl)furan-2-carbaldehyde
CID 3470512
5-(4-nitrophenoxy)furan-2-carbaldehyde
CID 3590045
azane;5-nitrofuran-2-carbaldehyde
CID 174516774
N-(5-nitro-2-pyridinyl)formamide
CID 91754326
4-[5-(4-nitrophenyl)-1,3-oxazol-2-yl]benzaldehyde
CID 76851670
ethane;2-methyl-5-nitropyridine
CID 123657002
methane;5-nitropyridin-2-amine
CID 174857781
4-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]pyridine
CID 5345969
5-(4-tert-butyl-2-nitrophenyl)furan-2-carbaldehyde
CID 169331711

Frequently Asked Questions

What is the IUPAC name of 5-(5-nitro-2-pyridinyl)furan-2-carbaldehyde?
The IUPAC name of 5-(5-nitro-2-pyridinyl)furan-2-carbaldehyde (CID 15531640) is 5-(5-nitro-2-pyridinyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(5-nitro-2-pyridinyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(5-nitro-2-pyridinyl)furan-2-carbaldehyde is O=Cc1ccc(-c2ccc([N+](=O)[O-])cn2)o1.
What is the InChIKey of 5-(5-nitro-2-pyridinyl)furan-2-carbaldehyde?
The InChIKey is QXNFLZLAZSQARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O4/c13-6-8-2-4-10(16-8)9-3-1-7(5-11-9)12(14)15/h1-6H.
What are the key properties of 5-(5-nitro-2-pyridinyl)furan-2-carbaldehyde?
5-(5-nitro-2-pyridinyl)furan-2-carbaldehyde has a molecular weight of 218.17 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-nitro-2-pyridinyl)furan-2-carbaldehyde is sourced from PubChem (CID 15531640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).